1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
TL;DR: 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- (CAS 110998-16-8) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.13649 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate
Also Known As: 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-, trans-2,5-Dimethyl-4-oxo-1-piperidinepropanoic acid methyl ester, N-beta-(2e,5e-Dimethyl-4-oxo-1-piperidyl)propionic acid methyl ester, methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate
Technical Specifications
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.13649 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.13649 Da |
| Heavy Atoms | 15 |
| Complexity | 252.0 |
| SMILES | C[C@@H]1CC(=O)[C@H](CN1CCC(=O)OC)C |
| InChIKey | LWOQGWVDQHCHRK-DTWKUNHWSA-N |
Chemical Property Profile of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
Property Insights of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-. With a topological polar surface area (TPSA) of 46.6 Ų, 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The CAS number of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is 110998-16-8.
What is the molecular formula of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The molecular formula of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is C11H19NO3.
What is the molecular weight of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The molecular weight of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is 213.13649 g/mol.
Where can I buy 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
You can request a quote for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
Yes, CoreyChem provides custom synthesis services for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.